SCHEMBL8216884

SCHEMBL8216884

Nc1nc(F)nc2c1ncn2[C@@H]1S[C@H](CO)[C@@H](O)[C@@H]1F

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ AHCY P23526 8/20 0.58
▸ NT5E P21589 2/20 0.58
▸ LMNA P02545 1/20 0.58
▸ HIF1A Q16665 1/20 0.58
▸ ADORA3 P0DMS8 2/20 0.47
▸ ADORA2A P29274 2/20 0.47
▸ ADORA1 P30542 2/20 0.47
▸ PDE2A O00408 1/20 0.47
▸ ADRA1A P35348 1/20 0.47
▸ PDE4D Q08499 1/20 0.47
▸ PDE3A Q14432 1/20 0.47
▸ CA5A P35218 1/20 0.46
▸ ADORA2B P29275 1/20 0.46
▸ DNMT1 P26358 1/20 0.42
▸ DNMT3B Q9UBC3 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8216887 1.00 AHCY (0.58) AHCYNT5ELMNAHIF1AADORA3
SCHEMBL8222030 0.91 AHCY (0.55) AHCYNT5ELMNAHIF1AADORA3
SCHEMBL8215983 0.91 AHCY (0.55) AHCYNT5ELMNAHIF1AADORA3
SCHEMBL8215986 0.91 AHCY (0.55) AHCYNT5ELMNAHIF1AADORA3
SCHEMBL8215936 0.88 ADORA3 (0.62) NT5ELMNAADORA3ADORA2AADORA1
SCHEMBL8215939 0.88 ADORA3 (0.62) NT5ELMNAADORA3ADORA2AADORA1
SCHEMBL12642439 0.84 AHCY (0.62) AHCYADORA3ADORA2AADORA1ADORA2B
SCHEMBL8219425 0.84 AHCY (0.62) AHCYADORA3ADORA2AADORA1ADORA2B
SCHEMBL8219423 0.84 AHCY (0.62) AHCYADORA3ADORA2AADORA1ADORA2B
SCHEMBL8219436 0.81 ADORA3 (0.43) AHCYNT5ELMNAHIF1AADORA3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6103707-A TREATMENT OF HERPES SIMPLEX VIRUS 1 (HSV-1), HERPES SIMPLEX VIRUS 2 (HSV-2), HUMAN CYTOMEGALOVIRUS (HCMV) AND VARICELLA-ZOSTER VIRUS YAMASA CORPORATION (JP) 2000-08-15 — — US claimed
EP-0839813-A1 9-(2-DEOXY-2-FLUORO-4-THIO-BETA-D-ARABINOFURANOSYL)PURINE DERIVATIVES YAMASA CORPORATION (JP) 1998-05-06 — — EP claimed
US-6103707-A TREATMENT OF HERPES SIMPLEX VIRUS 1 (HSV-1), HERPES SIMPLEX VIRUS 2 (HSV-2), HUMAN CYTOMEGALOVIRUS (HCMV) AND VARICELLA-ZOSTER VIRUS YAMASA CORPORATION (JP) 2000-08-15 — — US disclosed
EP-0839813-A1 9-(2-DEOXY-2-FLUORO-4-THIO-BETA-D-ARABINOFURANOSYL)PURINE DERIVATIVES YAMASA CORPORATION (JP) 1998-05-06 — — EP disclosed
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